N-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-ylmethyl)-N-methylprop-2-enamide

C12H15NO2S — CID 136572491

IUPACN-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-ylmethyl)-N-methylprop-2-enamide
SMILESC=CC(=O)N(C)CC1OCCc2sccc21
InChIInChI=1S/C12H15NO2S/c1-3-12(14)13(2)8-10-9-5-7-16-11(9)4-6-15-10/h3,5,7,10H,1,4,6,8H2,2H3
InChIKeyJHGSSZKBHYYCTM-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.01
Rot. Bonds3

About N-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-ylmethyl)-N-methylprop-2-enamide

N-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-ylmethyl)-N-methylprop-2-enamide (PubChem CID 136572491) has the molecular formula C12H15NO2S and a molecular weight of 237.32 g/mol. Its IUPAC name is N-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-ylmethyl)-N-methylprop-2-enamide.

Molecular Properties

Compound NameN-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-ylmethyl)-N-methylprop-2-enamide
PubChem CID136572491
Molecular FormulaC12H15NO2S
Molecular Weight237.32 g/mol
Exact Mass237.08
IUPAC NameN-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-ylmethyl)-N-methylprop-2-enamide
SMILESC=CC(=O)N(C)CC1OCCc2sccc21
InChIInChI=1S/C12H15NO2S/c1-3-12(14)13(2)8-10-9-5-7-16-11(9)4-6-15-10/h3,5,7,10H,1,4,6,8H2,2H3
InChIKeyJHGSSZKBHYYCTM-UHFFFAOYSA-N
XLogP2.01
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-ylmethyl)-1-methyl-1-(oxolan-3-ylmethyl)urea
CID 75376849
(2R)-2-[(4R)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]propanoic acid
CID 124710618
acetic acid;4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyran
CID 21423152
N-[[(4S)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methyl]cyclopropanamine
CID 163994540
N-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-ylmethyl)cyclopropanamine
CID 53237819
1-[[(4S)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methyl]-3-[(2S)-1-hydroxy-3-methylbutan-2-yl]urea
CID 96527607
4-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-ylmethyl)morpholine
CID 53238051
1-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-ylmethyl)piperidine
CID 53238279
N-[4-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-ylmethylamino)-4-oxobutyl]cyclopropanecarboxamide
CID 71870635
1-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)-N-methyl-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]methanamine
CID 166251185
1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)prop-2-en-1-one
CID 105110985
1-cyclopropyl-3-[[(4R)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methyl]-1-[(1R)-1-(furan-2-yl)ethyl]urea
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Frequently Asked Questions

What is the IUPAC name of N-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-ylmethyl)-N-methylprop-2-enamide?
The IUPAC name of N-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-ylmethyl)-N-methylprop-2-enamide (CID 136572491) is N-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-ylmethyl)-N-methylprop-2-enamide.
What is the SMILES notation for N-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-ylmethyl)-N-methylprop-2-enamide?
The canonical SMILES for N-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-ylmethyl)-N-methylprop-2-enamide is C=CC(=O)N(C)CC1OCCc2sccc21.
What is the InChIKey of N-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-ylmethyl)-N-methylprop-2-enamide?
The InChIKey is JHGSSZKBHYYCTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2S/c1-3-12(14)13(2)8-10-9-5-7-16-11(9)4-6-15-10/h3,5,7,10H,1,4,6,8H2,2H3.
What are the key properties of N-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-ylmethyl)-N-methylprop-2-enamide?
N-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-ylmethyl)-N-methylprop-2-enamide has a molecular weight of 237.32 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-ylmethyl)-N-methylprop-2-enamide is sourced from PubChem (CID 136572491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).